3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide

C18H23N3O2 — CID 155547798

IUPAC3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCCOC1
InChIInChI=1S/C18H23N3O2/c19-18-15(10-14-5-1-2-6-16(14)21-18)7-8-17(22)20-11-13-4-3-9-23-12-13/h1-2,5-6,10,13H,3-4,7-9,11-12H2,(H2,19,21)(H,20,22)
InChIKeyIYIJWRSBXYFKBP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.29
Rot. Bonds5

About 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide

3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide (PubChem CID 155547798) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide
PubChem CID155547798
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NCC1CCCOC1
InChIInChI=1S/C18H23N3O2/c19-18-15(10-14-5-1-2-6-16(14)21-18)7-8-17(22)20-11-13-4-3-9-23-12-13/h1-2,5-6,10,13H,3-4,7-9,11-12H2,(H2,19,21)(H,20,22)
InChIKeyIYIJWRSBXYFKBP-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide (CID 155547798) is 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide is Nc1nc2ccccc2cc1CCC(=O)NCC1CCCOC1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is IYIJWRSBXYFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-18-15(10-14-5-1-2-6-16(14)21-18)7-8-17(22)20-11-13-4-3-9-23-12-13/h1-2,5-6,10,13H,3-4,7-9,11-12H2,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide?
3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-3-yl)-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 155547798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).